1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine

C13H29N3 — CID 107896718

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)C1CN(C)CCN1C
InChIInChI=1S/C13H29N3/c1-6-7-11(2)13(14-3)12-10-15(4)8-9-16(12)5/h11-14H,6-10H2,1-5H3
InChIKeyPTZNFTVQTGUDQE-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine

1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine (PubChem CID 107896718) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine
PubChem CID107896718
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)C1CN(C)CCN1C
InChIInChI=1S/C13H29N3/c1-6-7-11(2)13(14-3)12-10-15(4)8-9-16(12)5/h11-14H,6-10H2,1-5H3
InChIKeyPTZNFTVQTGUDQE-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine (CID 107896718) is 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine?
The InChIKey is PTZNFTVQTGUDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-6-7-11(2)13(14-3)12-10-15(4)8-9-16(12)5/h11-14H,6-10H2,1-5H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 107896718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).